SCHEMBL16645499

SCHEMBL16645499

Cc1cc(C(F)(F)F)n(Cc2cc(=O)n3c(C(N)=O)c(C(F)(F)F)sc3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 20/20 0.47
GRIN1 Q05586 19/20 0.47
GRIA2 P42262 10/20 0.46
GRIN2D O15399 1/20 0.40
GRIN2C Q14957 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16645799 0.91 GRIN1 (0.55) GRIN2AGRIN1GRIA2
SCHEMBL17958218 0.88 GRIN2A (0.50) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645644 0.88 GRIN2A (0.55) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958149 0.87 GRIN1 (0.62) GRIN2AGRIN1GRIA2
SCHEMBL16645937 0.85 GRIN2A (0.54) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645658 0.84 GRIN2A (0.66) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645638 0.81 GRIN1 (0.59) GRIN2AGRIN1GRIA2
SCHEMBL16645672 0.81 GRIN2A (0.54) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645740 0.80 GRIN2A (0.65) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645939 0.80 GRIN2A (0.66) GRIN2AGRIN1GRIA2GRIN2DGRIN2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed